[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C24H25FN4O — CID 92616651

IUPAC[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)ccn1
InChIInChI=1S/C24H25FN4O/c1-26-23-15-20(8-11-27-23)24(30)29-12-9-18(10-13-29)22-7-6-17(16-28-22)14-19-4-2-3-5-21(19)25/h2-8,11,15-16,18H,9-10,12-14H2,1H3,(H,26,27)
InChIKeyULERINFONLIZGN-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.27
Rot. Bonds5

About [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 92616651) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID92616651
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)ccn1
InChIInChI=1S/C24H25FN4O/c1-26-23-15-20(8-11-27-23)24(30)29-12-9-18(10-13-29)22-7-6-17(16-28-22)14-19-4-2-3-5-21(19)25/h2-8,11,15-16,18H,9-10,12-14H2,1H3,(H,26,27)
InChIKeyULERINFONLIZGN-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616594
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124968009
1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 92616693
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92616486
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 92616479
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 72901178

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 92616651) is [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)ccn1.
What is the InChIKey of [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is ULERINFONLIZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-26-23-15-20(8-11-27-23)24(30)29-12-9-18(10-13-29)22-7-6-17(16-28-22)14-19-4-2-3-5-21(19)25/h2-8,11,15-16,18H,9-10,12-14H2,1H3,(H,26,27).
What are the key properties of [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 404.49 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 92616651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).